Compound Detail
CHEMBL1761739
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Basic Information
| ChEMBL ID | CHEMBL1761739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDMRTHXMXDZZBR-JZJYNLBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.18
ALogP
6
HBA
2
HBD
94.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TAK1/TAB1 CHEMBL3038499 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TAK1/TAB1 | IC50 | = | 5800.0 | nM | 5.24 | Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incor... | 21316225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21316225 | 10.1016/j.bmcl.2011.01.077 | TAK1/TAB1 | 1 |
Data from ChEMBL 36 via Core Engine